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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester

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Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
SpectraBase Compound ID 53tpX3iaUKK
InChI InChI=1S/C27H45F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-22(35)24(5-2,6-3)23(36)38-21-25(28,29)26(30,31)27(32,33)34/h4-21H2,1-3H3
InChIKey MBRJCEPIVGMNMG-UHFFFAOYSA-N
Mol Weight 566.6 g/mol
Molecular Formula C27H45F7O4
Exact Mass 566.320607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXNZuPV54Ak
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.320607066 u
Formula C27H45F7O4
InChI InChI=1S/C27H45F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-22(35)24(5-2,6-3)23(36)38-21-25(28,29)26(30,31)27(32,33)34/h4-21H2,1-3H3
InChIKey MBRJCEPIVGMNMG-UHFFFAOYSA-N
Molecular Weight 566.642 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC